SCHEMBL12374711

SCHEMBL12374711

CC(C)(C)Cn1cnnc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15216691 0.76
SCHEMBL20099437 0.69 TBXAS1 (0.32)
SCHEMBL2697302 0.69 CYP11B1 (0.50)
SCHEMBL218490 0.67 TP53 (0.31) TP53
SCHEMBL19700911 0.66 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KB
SCHEMBL22083730 0.66 ALPL (0.38) PI4KAPI4K2BPI4K2API4KB
SCHEMBL11238833 0.64 ESR1 (0.31)
SCHEMBL11238843 0.64 ESR1 (0.31)
SCHEMBL4019277 0.64 TP53 (0.30) TP53L3MBTL1
SCHEMBL15932248 0.64 MEN1 (0.54) TP53L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2021-03-25 US disclosed
US-9845295-B2 Triphenylethylene compounds and uses thereof PURDUE RESEARCH FOUNDATION (US) 2017-12-19 US disclosed
US-9845295-B2 Triphenylethylene compounds and uses thereof PURDUE RESEARCH FOUNDATION (US) 2017-12-19 US disclosed
US-20170144975-A1 TRIPHENYLETHYLENE COMPOUNDS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2017-05-25 US disclosed
US-20170144975-A1 TRIPHENYLETHYLENE COMPOUNDS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2017-05-25 US disclosed
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 US disclosed
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 US disclosed
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. 2015-10-29 US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
US-9090621-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-07-28 US disclosed
US-8957080-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-17 US disclosed
US-8946241-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-03 US disclosed
US-20140336382-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-11-13 US disclosed
US-20140309223-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-16 US disclosed
US-20140303161-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. 2014-10-09 US disclosed
US-8759358-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-06-24 US disclosed
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 PI4KA 28/4885PI4K2B 99/4885PI4K2A 168/4885
US-20150353557-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK PI4KA 75/4885PI4K2B 68/4885PI4K2A 67/4885
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES ABL1, LCK, FLT3 PI4KA 273/4885PI4K2B 328/4885PI4K2A 394/4885
US-20170144975-A1 TRIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CYP19A1, ESR1, ESRRA PI4KA 942/4885PI4K2B 1508/4885PI4K2A 1319/4885
US-20140303161-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK PI4KA 75/4885PI4K2B 68/4885PI4K2A 67/4885
US-20140336382-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK PI4KA 75/4885PI4K2B 68/4885PI4K2A 67/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 PI4KA 28/4885PI4K2B 99/4885PI4K2A 168/4885
US-20140309223-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK PI4KA 75/4885PI4K2B 68/4885PI4K2A 67/4885
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 PI4KA 1447/4885PI4K2B 1715/4885PI4K2A 2318/4885
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 PI4KA 992/4885PI4K2B 1403/4885PI4K2A 1339/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.